1-(3-methylbutyl)-3-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]thiourea Openeye Name: 1-isopentyl-3-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]thiourea Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C17H23N5O2S/c1-11(2)8-9-18-17(25)20-19-15(23)10-14-12-6-4-5-7-13(12)16(24)22(3)21-14/h4-7,11H,8-10H2,1-3H3,(H,19,23)(H2,18,20,25)